Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0HW3Y
|
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| Former ID |
DNC005895
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| Drug Name |
5,6-dihydroxy-7-nitro-2,3-dihydroinden-1-one
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C9H7NO5
|
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| Canonical SMILES |
C1CC(=O)C2=C(C(=C(C=C21)O)O)[N+](=O)[O-]
|
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| InChI |
1S/C9H7NO5/c11-5-2-1-4-3-6(12)9(13)8(7(4)5)10(14)15/h3,12-13H,1-2H2
|
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| InChIKey |
ULOQNEJBWLIGHK-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Catechol-O-methyl-transferase | Target Info | Inhibitor | [1] | |
| BioCyc Pathway | L-dopa degradation | ||||
| Dopamine degradation | |||||
| Noradrenaline and adrenaline degradation | |||||
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| Tyrosine metabolism | |||||
| Metabolic pathways | |||||
| Dopaminergic synapse | |||||
| PANTHER Pathway | Adrenaline and noradrenaline biosynthesis | ||||
| Dopamine receptor mediated signaling pathway | |||||
| PathWhiz Pathway | Tyrosine Metabolism | ||||
| WikiPathways | Methylation Pathways | ||||
| Metapathway biotransformation | |||||
| Estrogen metabolism | |||||
| Biogenic Amine Synthesis | |||||
| Dopamine metabolism | |||||
| Phase II conjugation | |||||
| Neurotransmitter Clearance In The Synaptic Cleft | |||||
| References | |||||
| REF 1 | J Med Chem. 2005 Dec 15;48(25):8070-8.Synthesis and biological evaluation of a novel series of "ortho-nitrated" inhibitors of catechol-O-methyltransferase. | ||||
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